%chk=000042377.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042377

0 1
 O   -2.643200       1.704300      5.1700000E-02
 O   -5.340000       2.000800     -0.5570000    
 O    5.858300      -1.778100      -1.358400    
 N   -4.022900      -1.457500     -0.6794000    
 N    5.649300     -0.1524000      0.2962000    
 C   -4.590500      0.9157000      -1.110800    
 C   -4.784600     -0.3075000     -0.2116000    
 C   -4.180500      -2.589200      0.2242000    
 C   -3.131200       1.347400      -1.237800    
 C    2.855000      0.8302000       1.015700    
 C    3.301100     -0.6387000      0.8770000    
 C    1.404100       1.061200      0.7609000    
 C   -3.279300      -2.421500       1.444200    
 C   -3.860500      -3.881600     -0.5200000    
 C    4.778900     -0.8764000       1.181200    
 C   -1.310700       1.492800      0.2854000    
 C   0.9593000       1.350900     -0.5291000    
 C   0.4913000      0.9872000       1.813100    
 C  -0.3980000       1.566800     -0.7669000    
 C  -0.8660000       1.203100       1.575400    
 C    6.118500     -0.6665000     -0.9056000    
 C    6.991700      0.3090000      -1.648300    
 H   -4.997300      0.7136000      -2.108200    
 H   -5.856300     -0.5454000     -0.1807000    
 H   -4.511800     -3.4000002E-02  0.8142000    
 H   -5.222400      -2.671200      0.5604000    
 H   -4.347900      -1.705400      -1.613800    
 H   -3.070700       2.236900      -1.876100    
 H   -2.559100      0.5333000      -1.699100    
 H    3.108100       1.188500       2.022600    
 H    3.441000       1.459700      0.3334000    
 H    3.079400     -0.9847000     -0.1410000    
 H    2.702400      -1.261800       1.553400    
 H   -2.230000      -2.297100       1.152300    
 H   -3.564000      -1.560000       2.055800    
 H   -3.339500      -3.305600       2.088800    
 H   -2.830100      -3.885900     -0.8934000    
 H   -4.531300      -4.023000      -1.375000    
 H   -3.980700      -4.748000      0.1396000    
 H    5.012100     -0.5569000       2.202300    
 H    5.001300      -1.946400       1.103800    
 H    1.661600       1.415700      -1.356000    
 H   0.8247000      0.7597000       2.822200    
 H  -0.6976000       1.819900      -1.779600    
 H   -1.573200       1.142300       2.398100    
 H   -4.951400       2.219100      0.3075000    
 H    5.919300      0.7889000      0.5667000    
 H    7.729600      0.7503000     -0.9723000    
 H    7.520800     -0.2090000      -2.453000    
 H    6.370200       1.100400      -2.075900    


%chk=000042377-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042377

0 1
O -2.588486 1.131290 0.293228
O -5.119867 2.187714 -0.140506
O 6.410732 -1.833220 -0.546691
N -4.960611 -1.531591 -0.813999
N 6.036058 0.274125 0.365559
C -4.704047 0.949808 -0.817144
C -5.179587 -0.296759 -0.029474
C -4.739842 -2.789018 -0.043792
C -3.188387 0.940984 -1.046587
C 3.137984 1.234653 1.038203
C 3.706174 -0.197940 1.232024
C 1.633365 1.240451 0.809471
C -3.307504 -2.822933 0.534278
C -4.984104 -3.990473 -0.979360
C 5.230665 -0.230207 1.492920
C -1.186549 1.158804 0.394034
C 1.088905 1.042575 -0.482564
C 0.727454 1.399617 1.892266
C -0.306222 0.999771 -0.703669
C -0.666208 1.360648 1.695477
C 6.573196 -0.575572 -0.592414
C 7.379628 0.103291 -1.698527
H -5.208949 0.979715 -1.800327
H -6.242018 -0.129636 0.256560
H -4.595969 -0.360413 0.906162
H -5.460314 -2.863987 0.808934
H -5.690455 -1.658479 -1.528114
H -2.884051 1.777745 -1.704998
H -2.882038 -0.033082 -1.472489
H 3.385751 1.841628 1.932615
H 3.649652 1.705287 0.175015
H 3.480923 -0.814639 0.341930
H 3.195865 -0.679334 2.089817
H -2.569795 -2.848055 -0.288321
H -3.093787 -1.931784 1.151553
H -3.164746 -3.717684 1.168442
H -4.309515 -3.934527 -1.853938
H -6.028849 -4.011444 -1.345732
H -4.791382 -4.941461 -0.452462
H 5.476279 0.364077 2.394777
H 5.548655 -1.273275 1.665752
H 1.765121 0.919423 -1.337840
H 1.119788 1.559959 2.904213
H -0.689069 0.845885 -1.716533
H -1.363134 1.486628 2.530192
H -4.489811 2.325506 0.614962
H 6.186482 1.279324 0.276172
H 7.435445 1.201430 -1.597706
H 8.404029 -0.307280 -1.698365
H 6.930446 -0.143646 -2.675907


